File name: Pandora21s1_Bremen_20220419_L2Fit_fout2c6d20211128p1-8.txt File generation date: 20240903T113830.9Z Data description: Level 2 spectral fitting results file Data file version: fout2c6p1-8 Local principal investigator: Tom Hanisco Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 21 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora21_OF_v4d20190904.txt Instrument calibration file used: Pandora21s1_CF_v6d20211128.txt Level 1 file used: Pandora21s1_Bremen_20220419_L1_smca1c6d20211128p1-8.txt Full location name: Bremen University Short location name: Bremen Country of location: Germany Location latitude [deg]: 53.0813 Location longitude [deg]: 8.8126 Location altitude [m]: 50 Local noon date: 20220419 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are dark map for dark correction (replaced by immediate dark method), latency correction, matrix method stray light correction (replaced by simple method) Data caveats: None First and last pixel inside fitting window: 286 428 Nominal wavelengths inside fitting window [nm]: 305.0476 305.1881 305.3286 305.4691 305.6096 305.7501 305.8905 306.0309 306.1714 306.3118 306.4522 306.5926 306.7329 306.8733 307.0137 307.1540 307.2943 307.4346 307.5749 307.7152 307.8555 307.9958 308.1361 308.2763 308.4165 308.5568 308.6970 308.8372 308.9774 309.1176 309.2577 309.3979 309.5380 309.6781 309.8183 309.9584 310.0985 310.2386 310.3786 310.5187 310.6587 310.7988 310.9388 311.0788 311.2188 311.3588 311.4988 311.6387 311.7787 311.9186 312.0586 312.1985 312.3384 312.4783 312.6182 312.7581 312.8979 313.0378 313.1776 313.3174 313.4572 313.5970 313.7368 313.8766 314.0164 314.1561 314.2959 314.4356 314.5753 314.7150 314.8547 314.9944 315.1341 315.2737 315.4134 315.5530 315.6927 315.8323 315.9719 316.1115 316.2510 316.3906 316.5302 316.6697 316.8092 316.9487 317.0883 317.2277 317.3672 317.5067 317.6462 317.7856 317.9250 318.0645 318.2039 318.3433 318.4827 318.6220 318.7614 318.9008 319.0401 319.1794 319.3187 319.4581 319.5973 319.7366 319.8759 320.0152 320.1544 320.2936 320.4329 320.5721 320.7113 320.8505 320.9896 321.1288 321.2679 321.4071 321.5462 321.6853 321.8244 321.9635 322.1026 322.2417 322.3807 322.5198 322.6588 322.7978 322.9368 323.0758 323.2148 323.3538 323.4927 323.6317 323.7706 323.9095 324.0484 324.1873 324.3262 324.4651 324.6040 324.7428 324.8817 --------------------------------------------------------------------------------------- Column 1: Two letter code of measurement routine Column 2: UT date and time for center-time of measurement, yyyymmddThhmmssZ (ISO 8601) Column 3: Fractional days since 1-Jan-2000 midnight for center-time of measurement Column 4: Routine count (1 for the first routine of the day, 2 for the second, etc.) Column 5: Repetition count (1 for the first set in the routine, 2 for the second, etc.) Column 6: Total duration of measurement set in seconds Column 7: Data processing type index Column 8: Solar zenith angle for center-time of measurement in degree Column 9: Solar azimuth for center-time of measurement in degree, 0=north, increases clockwise Column 10: Lunar zenith angle for center-time of measurement in degree Column 11: Lunar azimuth for center-time of measurement in degree, 0=north, increases clockwise Column 12: Pointing zenith angle in degree, absolute or relative (see next column), 999=tracker not used Column 13: Zenith pointing mode: zenith angle is... 0=absolute, 1=relative to sun, 2=relative to moon Column 14: Pointing azimuth in degree, increases clockwise, absolute (0=north) or relative (see next column), 999=tracker not used Column 15: Azimuth pointing mode: like zenith angle mode but also fixed scattering angles relative to sun (3) or moon (4) Column 16: Fitting result index: 0=no error or warning, 1, 2=warning, >2=error Column 17: Number of function evaluations used, 0=linear fitting or fitting not successful or no fitting done Column 18: rms of unweighted fitting residuals, -9=fitting not successful Column 19: Normalized rms of fitting residuals weighted with independent uncertainty, -9=fitting not successful or no uncertainty used Column 20: Expected rms based on independent uncertainty, -9=fitting not successful or no uncertainty given Column 21: Expected normalized weighted rms based on independent uncertainty, -9=fitting not successful or no uncertainty given Column 22: Ozone slant column amount [moles per square meter], -9e99=fitting not successful Column 23: Independent uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 24: Structured uncertainty of ozone slant column amount [moles per square meter], -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 25: Common uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -6=no common uncertainty input was given, -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 26: rms-based uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no rms-based uncertainty could be retrieved, -9=spectral fitting not successful Column 27: Ozone effective temperature [K] Column 28: Independent uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 29: Structured uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -9=spectral fitting not successful Column 30: Common uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no common uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -6=no common uncertainty input was given, -9=spectral fitting not successful Column 31: Effective ozone fitting wavelength [nm], -9=fitting not successful Column 32: Diffuse correction applied before fitting at effective fitting wavelength for ozone [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 33: Sulfur dioxide slant column amount [moles per square meter], -9e99=fitting not successful Column 34: Independent uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 35: Structured uncertainty of sulfur dioxide slant column amount [moles per square meter], -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 36: Common uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -6=no common uncertainty input was given, -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 37: rms-based uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no rms-based uncertainty could be retrieved, -9=spectral fitting not successful Column 38: Sulfur dioxide effective temperature [K] Column 39: Independent uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 40: Structured uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -9=spectral fitting not successful Column 41: Common uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no common uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -6=no common uncertainty input was given, -9=spectral fitting not successful Column 42: Effective sulfur dioxide fitting wavelength [nm], -9=fitting not successful Column 43: Diffuse correction applied before fitting at effective fitting wavelength for sulfur dioxide [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 44: Molecular scattering air mass factor used for molecular scattering subtraction before the fitting Column 45: Estimated uncertainty of molecular scattering air mass factor, -9=molecular scattering was not subtracted before the fitting Column 46: Lower limit used for wavelength scaling [nm] Column 47: Upper limit used for wavelength scaling [nm] Column 48: Order of smoothing polynomial Column 49: Smoothing polynomial coefficient, order 0 Column 50: Independent uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 51: Structured uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 52: Common uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 53: rms-based uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 54: Smoothing polynomial coefficient, order 1 Column 55: Independent uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 56: Structured uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 57: Common uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 58: rms-based uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 59: Smoothing polynomial coefficient, order 2 Column 60: Independent uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 61: Structured uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 62: Common uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 63: rms-based uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 64: Smoothing polynomial coefficient, order 3 Column 65: Independent uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 66: Structured uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 67: Common uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 68: rms-based uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 69: Mean value of measured data inside fitting window [same units as measurements] Column 70: Wavelength change polynomial coefficient, order 0 Column 71: Independent uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 72: Structured uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 73: Common uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 74: rms-based uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 75: L1 based wavelength change coefficient, order 0, -9=no L1 wavelength change determination Column 76: L1 based wavelength change coefficient, order 1, -9=no L1 wavelength change determination Column 77: L2Fit data quality flag: 0=assured high quality, 1=assured medium quality, 2=assured low quality, 10=not-assured high quality, 11=not-assured medium quality, 12=not-assured low quality Column 78: Sum over 2^i using those i, for which the corresponding L2Fit data quality parameter exceeds the DQ1 limit, 0=L1 data quality above 0, 1=Spectral fitting was not successful, 2=Wavelength shift too large, 3=Normalized rms of fitting residuals weighted with independent uncertainty too large Column 79: Sum over 2^i using those i, for which the corresponding L2Fit data quality parameter exceeds the DQ2 limit (same parameters as for DQ1) Column 80: L1 data quality flag: 0=assured high quality, 1=assured medium quality, 2=assured low quality, 10=not-assured high quality, 11=not-assured medium quality, 12=not-assured low quality Column 81: Sum over 2^i using those i, for which the corresponding L1 data quality parameter exceeds the DQ1 limit, 0=Saturated data, 1=Too few dark counts measurements, 2=No temperature given or effective temperature too different from the reference temperature, 3=Dark count too high, 4=Unsuccessful dark background fitting, 5=The dark count differs significantly from the dark map for too many pixels, 6=Absolute value of estimated average residual stray light level too high, 7=Although attempted, no wavelength change could be retrieved, 8=Absolute value of retrieved wavelength shift too large, 9=Retrieved wavelength shift differs too much from the shift predicted by the effective temperature Column 82: Sum over 2^i using those i, for which the corresponding L1 data quality parameter exceeds the DQ2 limit (same parameters as for DQ1) Column 83: Atmospheric variability [%], 999=no atmospheric variability was determined Column 84: Wavelength effective temperature [°C], 999=no effective temperature given Column 85: Estimated average residual stray light level [%] (only valid for stray light correction methods 2 and higher) Column 86: Retrieved wavelength shift from L1 data [nm], -9=no wavelength change determination Column 87: Retrieved total wavelength shift [nm], -9=no wavelength change fitting Column 88: Number of bright count cycles Column 89: Number of dark count cycles Column 90: Effective position of filterwheel #1, 0=filterwheel not used, 1-9 are valid positions Column 91: Effective position of filterwheel #2, 0=filterwheel not used, 1-9 are valid positions Column 92: Sum over 2^i, 0=spectra were interpolated in time, 1=spectra are corrected for off-target signal Column 93: Integration time [ms] Column 94: Temperature at electronics board [°C], 999=no temperature signal Column 95: Spectrometer control temperature [°C], 999=no temperature signal Column 96: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 97: Temperature in head sensor [°C], 999=no temperature signal Column 98: Humidity in head sensor [%], -9=no humidity signal Column 99: Pressure in head sensor [hPa], -9=no pressure signal Columns 100-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-385: Normalized slant column residuals weighted with independent instrumental uncertainty for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting, 0=no independent instrumental uncertainty was given --------------------------------------------------------------------------------------- SS 20220419T061913.8Z 8144.263354 249 1 1.95 2 72.79 94.25 97.30 242.06 0.00 1 0.00 1 0 25 3.743e-01 1.707e-02 2.289e-01 1.215e-02 5.523127e-01 6.410956e-03 7.027617e-03 -6.000000e+00 2.236970e-01 228.06 -2.00 3.88 -2.00 319.56 0.00e+00 3.882184e-03 1.645154e-03 3.263948e-04 -6.000000e+00 9.003350e-03 272.69 -2.00 20.00 -2.00 319.28 0.00e+00 3.331 0.001 302.00 328.00 3 3.2951e+00 1.7696e-02 4.6093e-02 -6.0000e+00 5.6003e-01 7.9918e-02 2.0589e-02 3.1577e-02 -6.0000e+00 6.0826e-01 -7.2880e-02 1.8240e-02 1.6235e-02 -6.0000e+00 3.5734e-01 2.4929e-02 9.7860e-03 4.9099e-03 -6.0000e+00 1.4966e-01 3.5328e-04 -3.3950e-04 3.5983e-04 5.7544e-05 -6.0000e+00 1.1299e-02 1.2589e-03 0.0000e+00 12 9 9 12 1 1 999.00 22.31 0.32 0.00126 -0.00129 1 11 1 5 0 888.093 25.28 20.00 22.31 14.84 28.8 1005.85 900000 -100297 4204 -96775 53959 -119794 -115860 41854 -63548 306685 -47669 135213 -7721 -18517 -28404 -5781 -4411 325 87311 -24699 22994 -15266 61081 11335 16163 6262 -16123 20965 -3306 -1439 -17599 43929 -5093 15545 -2304 -3600 -1325 -4514 1646 2434 7629 -3976 6111 -6672 3596 4416 13859 3397 1756 10743 3794 9077 -2349 3181 -204 5549 211 -1007 524 -2944 3148 4052 3752 -3597 4351 -4108 -2291 -3686 1158 2497 1980 2181 -1221 -1696 87 -812 -2412 -3858 -3420 -3972 -2812 -2698 731 -1183 1304 -1402 -567 430 285 1445 -866 -1750 -2129 -2842 -1366 -1400 855 1797 -50 675 1452 -1612 1431 -185 51 -916 503 1526 1549 -321 942 3449 2161 -349 463 -1582 -631 -28 -966 9 1037 516 -302 -534 -148 -635 -1591 -988 854 146 -14 -663 -661 -722 -2239 -49 -101 342 1774 455 503 194 -407 900000 -3180 56 -3144 639 -4418 -4322 496 -1800 3634 -1318 1602 -197 -641 -1305 -253 -213 16 2161 -1759 1098 -1039 2150 660 957 424 -1358 1249 -244 -109 -1739 2875 -584 1579 -273 -429 -165 -664 271 463 1544 -955 1407 -1767 886 1100 3236 884 478 2831 1139 2833 -870 1199 -83 2218 90 -435 221 -1265 1313 1788 1812 -1995 2369 -2374 -1278 -2089 668 1562 1342 1541 -888 -1202 57 -503 -1419 -2258 -2102 -2720 -2132 -2241 634 -1091 1235 -1413 -591 455 304 1501 -879 -1700 -1992 -2657 -1327 -1478 973 2208 -66 900 1878 -2010 1656 -213 61 -1139 642 2007 2134 -473 1459 5454 3470 -559 712 -2388 -937 -42 -1507 15 1665 823 -473 -820 -221 -928 -2286 -1416 1266 231 -23 -1161 -1190 -1339 -4333 -97 -203 696 3586 916 988 370 -758 SS 20220419T062900.9Z 8144.270150 252 1 47.85 2 71.33 96.25 98.57 243.85 0.00 1 0.00 1 0 25 5.301e-02 4.585e-03 8.630e-03 3.774e-04 5.130871e-01 2.001278e-04 6.579677e-03 -6.000000e+00 3.167257e-02 228.06 -2.00 3.88 -2.00 319.94 0.00e+00 8.865196e-04 5.621722e-05 3.264500e-04 -6.000000e+00 1.269640e-03 272.69 -2.00 20.00 -2.00 319.65 0.00e+00 3.085 0.001 302.00 328.00 3 5.5161e-02 5.5792e-04 4.2880e-02 -6.0000e+00 7.9294e-02 2.9533e-02 6.6315e-04 2.9626e-02 -6.0000e+00 8.6089e-02 -1.0375e-02 6.3094e-04 1.5492e-02 -6.0000e+00 5.0596e-02 -5.0464e-03 3.3625e-04 4.7875e-03 -6.0000e+00 2.1043e-02 1.2186e-02 -6.0435e-04 1.1637e-05 5.8222e-05 -6.0000e+00 1.5908e-03 1.7582e-03 0.0000e+00 10 0 0 10 0 0 36.79 22.31 0.22 0.00176 -0.00278 1772 348 1 5 0 25.244 25.39 20.00 22.31 16.00 28.8 1012.08 -28135 -1646 -26388 -10761 -21958 -19442 -14312 -17427 -9998 -17015 -2646 -13369 -5969 -8107 -2125 -5293 -3257 -1620 -2143 -236 -2719 779 -2858 -1332 -2817 -2398 -2938 -2755 -890 -2075 84 -521 682 -2299 -1005 -2148 -1554 -1184 -1605 -1384 -2211 -1383 -1781 -634 -960 -480 -846 -777 -382 200 783 692 1267 475 834 543 603 223 443 833 1068 1526 1451 940 327 876 541 819 1000 542 169 -19 -69 -200 70 40 323 181 311 -92 -463 -841 -1464 -1057 -1071 -760 -474 -190 -27 129 592 675 1074 1077 1074 614 825 387 -268 -375 -254 -341 203 231 -828 -681 -698 -426 -116 -55 -161 -253 -97 22 363 622 679 320 47 -565 -650 -226 -314 -173 156 232 792 1100 595 356 216 75 149 215 -97 -231 49 29 -318 -207 -89 -133 50 -331 -19 -376 -141 -277 -256 -191 -249 -150 -297 -42 -262 -129 -221 -66 -184 -124 -66 -95 -11 -132 37 -147 -72 -168 -151 -189 -173 -54 -131 6 -42 61 -226 -97 -207 -160 -142 -235 -223 -406 -273 -370 -134 -206 -104 -185 -172 -86 47 198 193 382 156 288 196 224 83 163 301 393 600 633 453 166 437 262 396 515 315 102 -12 -45 -124 43 23 166 90 164 -55 -301 -621 -1196 -919 -990 -746 -460 -191 -27 134 580 614 914 903 957 616 880 467 -355 -509 -331 -408 223 248 -943 -825 -890 -573 -167 -80 -258 -428 -166 36 561 907 968 470 72 -926 -1088 -371 -500 -266 229 346 1127 1556 903 562 373 138 270 406 -194 -489 101 61 -681 -435 -189 -269 97 SS 20220419T063920.9Z 8144.277325 255 1 49.77 2 69.79 98.38 99.94 245.72 0.00 1 0.00 1 0 25 1.372e-01 9.733e-03 1.472e-01 7.117e-03 4.889246e-01 3.787953e-03 6.247671e-03 -6.000000e+00 8.197466e-02 228.06 -2.00 3.88 -2.00 320.09 0.00e+00 1.973690e-03 1.078433e-03 3.207256e-04 -6.000000e+00 3.286415e-03 272.70 -2.00 20.00 -2.00 319.79 0.00e+00 2.864 0.000 302.00 328.00 3 4.8612e+00 1.0655e-02 4.0360e-02 -6.0000e+00 2.0523e-01 5.3127e-02 1.2632e-02 2.8223e-02 -6.0000e+00 2.2282e-01 1.4387e-02 1.1770e-02 1.4734e-02 -6.0000e+00 1.3096e-01 -1.3732e-02 6.2494e-03 4.5576e-03 -6.0000e+00 5.4456e-02 1.2257e-04 -1.8438e-04 2.2604e-04 5.7243e-05 -6.0000e+00 4.1181e-03 2.6885e-03 0.0000e+00 12 8 8 10 0 0 99.99 22.31 0.17 0.00269 0.00130 95 19 1 5 0 523.807 25.39 20.00 22.31 17.31 28.9 1018.42 -21388 52223 23253 -48377 30662 3037 -52676 -34529 -16339 11560 29461 67198 1791 -35918 -18366 31553 -13265 9489 36236 -15432 22143 -16363 13970 21868 22669 -900 4755 -15183 32615 -597 11806 24629 125 6706 -500 -3143 1158 10600 7424 -1947 -1729 -1567 -1980 -1047 -830 3809 84 -1495 1039 71 -1264 1512 1736 2813 205 2471 193 -1357 -1624 600 -2430 2605 929 -389 1181 -1392 1644 -1976 -677 -249 1226 1781 60 363 -1434 -919 -1643 -1910 -3929 2 -2305 -2235 -1086 167 -613 -1139 840 682 1328 146 -302 -1059 -1924 -852 -380 -1447 983 1167 844 -286 363 75 131 -221 -2228 -519 -322 375 964 1707 1902 1941 1325 271 -149 -639 -944 -20 -696 -508 -427 -28 -522 -273 -99 -728 -126 -548 -468 -324 696 -699 -602 -797 -918 -289 506 421 497 460 434 -186 160 -345 529 312 -1123 366 44 -1245 -778 -350 212 490 899 46 -1464 -762 996 -656 419 1367 -926 1006 -1033 707 1097 1200 -61 309 -1150 1636 -41 793 1672 12 620 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